Explicit Large Time Stepping with Third-Order Exponential Time Differencing Scheme for Hypersonic Chemical Non-Equilibrium Flow

In this paper, a third-order exponential time differencing scheme, named ETDRK3, was investigated for large time stepping in the computation of hypersonic non-equilibrium flow. The second-order Harten-TVD scheme was used for the spatial discretization. The efficient implementation of the scheme with diagonalization of Jacobin matrix was established and carried out for the semi-cylindrical around flow. Current observations showed that the numerical results were in good agreement with those obtained by the classical explicit three-stage Runge-Kutta scheme (RK3) and implicit LU scheme. Efficiency assessments promised the effectiveness of the ETDRK3 scheme. The rationality of the application of this scheme was proved by its preferable accuracy and efficiency.

Bound-Preserving Discontinuous Galerkin Methods with Modified Patankar Time Integrations for Chemical Reacting Flows

In this paper,we develop bound-preserving discontinuous Galerkin(DG)methods for chemical reactive flows.There are several difficulties in constructing suitable numerical schemes.First of all,the density and internal energy are positive,and the mass fraction of each species is between 0 and 1.Second,due to the rapid reaction rate,the system may contain stiff sources,and the strong-stability-preserving explicit Runge-Kutta method may result in limited time-step sizes.To obtain physically relevant numerical approximations,we apply the bound-preserving technique to the DG methods.Though traditional positivity-preserving techniques can successfully yield positive density,internal energy,and mass fractions,they may not enforce the upper bound 1 of the mass fractions.To solve this problem,we need to(i)make sure the numerical fluxes in the equations of the mass fractions are consistent with that in the equation of the density;(ii)choose conservative time integrations,such that the summation of the mass fractions is preserved.With the above two conditions,the positive mass fractions have summation 1,and then,they are all between 0 and 1.For time discretization,we apply the modified Runge-Kutta/multi-step Patankar methods,which are explicit for the flux while implicit for the source.Such methods can handle stiff sources with relatively large time steps,preserve the positivity of the target variables,and keep the summation of the mass fractions to be 1.Finally,it is not straightforward to combine the bound-preserving DG methods and the Patankar time integrations.The positivity-preserving technique for DG methods requires positive numerical approximations at the cell interfaces,while Patankar methods can keep the positivity of the pre-selected point values of the target variables.To match the degree of freedom,we use polynomials on rectangular meshes for problems in two space dimensions.To evolve in time,we first read the polynomials at the Gaussian points.Then,suitable slope limiters can be applied to enforce the positivity of the solutions at those points,which can be preserved by the Patankar methods,leading to positive updated numerical cell averages.In addition,we use another slope limiter to get positive solutions used for the bound-preserving technique for the flux.Numerical examples are given to demonstrate the good performance of the proposed schemes.

Hydromagnetic Squeezing Nanofluid Flow between Two Vertical Plates in Presence of a Chemical Reaction

In this study, Hydromagnetic Squeezing Nanofluid flow between two vertical plates in presence of a chemical reaction has been investigated. The governing equations were transformed by similarity transformation and the resulting ordinary differential equations were solved by collocation method. The velocity, temperature, concentration and magnetic induction profiles were determined with help of various flow parameters. The numerical scheme was simulated with aid of MATLAB. The results showed that increasing the squeeze number only boosts velocity and concentration while lowering temperature. Conversely, increasing the Hartmann number, Reynold’s magnetic number, Eckert number and Thermal Grashof number generally increases temperature but decreases both velocity and concentration. Chemical reaction rate and Soret number solely elevate concentration while Schmidt number only reduces it. The results of this study will be useful in the fields of oil and gas industry, plastic processing industries, filtration, food processing, lubrication system in machinery, Microfluidics devices for drug delivery and other related fields of nanotechnology.

Influence of Thermophoresis and Brownian Motion of Nanoparticles on Radiative Chemically-Reacting MHD Hiemenz Flow over a Nonlinear Stretching Sheet with Heat Generation

In this study,a radiative MHD stagnation point flow over a nonlinear stretching sheet incorporating thermophoresis and Brownian motion is considered.Using a similarity method to reshape the underlying Partial differential equations into a set of ordinary differential equations(ODEs),the implications of heat generation,and chemical reaction on the flow field are described in detail.Moreover a Homotopy analysis method(HAM)is used to interpret the related mechanisms.It is found that an increase in the magnetic and velocity exponent parameters can damp the fluid velocity,while thermophoresis and Brownian motion promote specific thermal effects.The results also demonstrate that as the Brownian motion parameter is increased,the concentration values become smaller.

Stability Analysis of a Fully Coupled Implicit Scheme for Inviscid Chemical Non-Equilibrium Flows

Von Neumann stability theory is applied to analyze the stability of a fully coupled implicit(FCI)scheme based on the lower-upper symmetric Gauss-Seidel(LUSGS)method for inviscid chemical non-equilibrium flows.The FCI scheme shows excellent stability except the case of the flows involving strong recombination reactions,and can weaken or even eliminate the instability resulting from the stiffness problem,which occurs in the subsonic high-temperature region of the hypersonic flow field.In addition,when the full Jacobian of chemical source term is diagonalized,the stability of the FCI scheme relies heavily on the flow conditions.Especially in the case of high temperature and subsonic state,the CFL number satisfying the stability is very small.Moreover,we also consider the effect of the space step,and demonstrate that the stability of the FCI scheme with the diagonalized Jacobian can be improved by reducing the space step.Therefore,we propose an improved method on the grid distribution according to the flow conditions.Numerical tests validate sufficiently the foregoing analyses.Based on the improved grid,the CFL number can be quickly ramped up to large values for convergence acceleration.

TVD SCHEME WITH CHEMICAL REACTION FLOW AND ITS APPLICATION IN COMBUSTION GAS JETTING FLOW

By conjugating features of combustion gas jetting flows of the solid-rocket and using mathematical methods, a numerical scheme is systematically derived based on Harten′s standard TVD scheme, which fits for the flow with high temperature, pressure and velocity. The rational calculation formula of pressure partial derivation is also given out. By using the chemical kinetics knowledge, problems of multi-component and finite rate chemical reaction contained in combustion gas of the rocket flow field are discussed. The method for solving the mass source term of chemical reaction is clarified. Taking 9 reaction equations with 12 components as an example and utilizing the established calculation program, the free jetting flow field of the rocket is simulated. Numerical results show the correctness of the numerical scheme.

Permeability evolution and gas flow in wet coal under non-equilibrium state:Considering both water swelling and process-based gas swelling

Accurate knowledge of gas flow within the reservoir and related controlling factors will be important for enhancing the production of coal bed methane.At present,most studies focused on the permeability evolution of dry coal under gas adsorption equilibrium,gas flow and gas diffusion within wet coal under the generally non-equilibrium state are often ignored in the process of gas recovery.In this study,an improved apparent permeability model is proposed which accommodates the water and gas adsorption,stress dependence,water film thickness and gas flow regimes.In the process of modeling,the water adsorption is only affected by water content while the gas adsorption is time and water content dependent;based on poroelastic mechanics,the effective fracture aperture and effective pore radius are derived;and then the variation in water film thickness for different pore types under the effect of water content,stress and adsorption swelling are modeled;the flow regimes are considered based on Beskok’s model.Further,after validation with experimental data,the proposed model was applied to numerical simulations to investigate the evolution of permeability-related factors under the effect of different water contents.The gas flow in wet coal under the non-equilibrium state is explicitly revealed.

Numerical simulation of pore-scale flow in chemical flooding process

Chemical flooding is one of the effective technologies to increase oil recovery of petroleum reservoirs after water flooding.Above the scale of representative elementary volume(REV), phenomenological modeling and numerical simulations of chemical flooding have been reported in literatures,but the studies alike are rarely conducted at the pore-scale,at which the effects of physicochemical hydrodynamics are hardly resolved either by experimental observations or by traditional continuum-based simulations.In this paper,dissipative particle dynamics(DPD),one of mesoscopic fluid particle methods,is introduced to simulate the pore-scale flow in chemical flooding processes.The theoretical background,mathematical formulation and numerical approach of DPD are presented.The plane Poiseuille flow is used to illustrate the accuracy of the DPD simulation,and then the processes of polymer flooding through an oil-wet throat and a water-wet throat are studies, respectively.The selected parameters of those simulations are given in details.These preliminary results show the potential of this novel method for modeling the physicochemical hydrodynamics at the pore scale in the area of chemical enhanced oil recovery.

Comparative experimental investigation of chemical grouting into a fracture with flowing and static water

We present a series of experimental tests on chemical grouting into a fracture with flowing and static water,using a transparent fracture grouting experimental device.Variations of seepage pressure and grout propagation were compared in our investigation.The results show that flowing water results in drops of seepage pressure,development of penetration radii in the upstream side and drops of propagation area during the same period,compared with grouting in static water.The propagation area in static water is always round before grouts reach the joint boundaries.However,the propagation shape changes from round to an elliptic shape for grouting into a fracture with flowing water.A theoretical model for the grout penetration radius in a fracture considering flowing velocity was developed and validated by our experimental results.These results are helpful in improving understanding of fracture grouting mechanism and in guiding engineering practices.

Interactions between gas flow and reversible chemical reaction in porous media

Taking into consideration the gas compressibility and chemical reaction reversibility, a model was developed to study the interactions between gas flow and chemical reaction in porous media and resolved by the finite volume method on the basis of the gas-solid reaction aA(g)+bB(s)cC(g)+dD(s).The numerical analysis shows that the equilibrium constant is an important factor influencing the process of gas-solid reaction. The stoichiometric coefficients, molar masses of reactant gas, product gas and inert gas are the main factors influencing the density of gas mixture. The equilibrium constant influences the gas flow in porous media obviously when the stoichiometric coefficients satisfy a/c≠1.

Surface Decontamination of Chemical Agent Surrogates Using an Atmospheric Pressure Air Flow Plasma Jet

An atmospheric pressure dielectric barrier discharge （DBD） plasma jet generator using air flow as the feedstock gas was applied to decontaminate the chemical agent surrogates on the surface of aluminum, stainless steel or iron plate painted with alkyd or PVC. The experi- mental results of material decontamination show that the residual chemical agent on the material is lower than the permissible value of the National Military Standard of China. In order to test the corrosion effect of the plasma jet on different material surfaces in the decontamination pro-cess, corrosion tests for the materials of polymethyl methacrylate, neoprene, polyvinyl chloride （PVC）, polyethylene （PE）, phenolic resin, iron plate painted with alkyd, stainless steel, aluminum, etc. were carried out, and relevant parameters were examined, including etiolation index, chroma- tism, loss of gloss, corrosion form, etc. The results show that the plasma jet is slightly corrosive for part of the materials, but their performances are not affected. A portable calculator, computer display, mainboard, circuit board of radiogram, and a hygrometer could work normally after being treated by the plasma jet.

Cattaneo-Christov heat and mass flux model for 3D hydrodynamic flow of chemically reactive Maxwell liquid

This research focuses on the Cattaneo-Christov theory of heat and mass flux for a three-dimensional Maxwell liquid towards a moving surface. An incompressible laminar flow with variable thermal conductivity is considered. The flow generation is due to the bidirectional stretching of sheet. The combined phenomenon of heat and mass transport is accounted. The Cattaneo-Christov model of heat and mass diffusion is used to develop the expressions of energy and mass species. The first-order chemical reaction term in the mass species equation is considered. The boundary layer assumptions lead to the governing mathematical model. The homotopic simulation is adopted to visualize the results of the dimensionless flow equations. The graphs of velocities, temperature, and concentration show the effects of different arising parameters. A numerical benchmark is presented to visualize the convergent values of the computed results. The results show that the concentration and temperature fields are decayed for the Cattaneo^Christov theory of heat and mass diffusion.

Magneto-hydrodynamic flow of squeezed fluid with binary chemical reaction and activation energy

The present exploration is conducted to describe the motion of viscous fluid embedded in squeezed channel under the applied magnetics effects.The processes of heat and mass transport incorporate the temperature-dependent binary chemical reaction with modified Arrhenius theory of activation energy function which is not yet disclosed for squeezing flow mechanism.The flow,heat and mass regime are exposed to be governed via dimensionless,highly non-linear,ordinary differential equations (ODEs) under no-slip walls boundary conditions.A well-tempered analytical convergent procedure is adopted for the solutions of boundary value problem.A detailed study is accounted through graphs in the form of flow velocity field,temperature and fluid concentration distributions for various emerging parameters of enormous interest.Skin-friction,Nusselt and Sherwood numbers have been acquired and disclosed through plots.The results indicate that fluid temperature follows an increasing trend with dominant dimensionless reaction rate σ and activation energy parameter E.However,an increment in σ and E parameters is found to decline in fluid concentration.The current study arises numerous engineering and industrial processes including polymer industry,compression and injection shaping,lubrication system,formation of paper sheets,thin fiber,molding of plastic sheets.In the area of chemical engineering,geothermal engineering,cooling of nuclear reacting,nuclear or chemical system,bimolecular reactions,biochemical process and electrically conducting polymeric flows can be controlled by utilizing magnetic fields.Motivated by such applications,the proposed study has been developed.

Features of Darcy-Forchheimer flow of carbon nanofluid in frame of chemical species with numerical significance

Present work reports chemically reacting Darcy-Forchheimer flow of nanotubes.Water is utilized as base liquid while carbon nanotubes are considered nanomaterial.An exponential stretchable curved surface flow is originated.Heat source is present.Xue relation of nanoliquid is employed to explore the feature of CNTs (single and multi-wall).Transformation technique is adopted in order to achieve non-linear ordinary differential systems.The governing systems are solved numerically.Effects of involved parameters on flow,temperature,concentration,heat transfer rate (Nusselt number) with addition of skin friction coefficient are illustrated graphically.Decay in velocity is noted with an increment in Forchheimer number and porosity parameter while opposite impact is seen for temperature.Moreover,role of MWCNTs is prominent when compared with SWCNTs.

MHD flow and mass transfer of chemically reactive upper convected Maxwell fluid past porous surface

The magnetohydrodynamic （MHD） flow and mass transfer of an electrically conducting upper convected Maxwell （UCM） fluid at a porous surface are studied in the presence of a chemically reactive species. The governing nonlinear partial differential equations along with the appropriate boundary conditions are transformed into nonlinear ordinary differential equations and numerically solved by the Keller-box method. The effects of various physical parameters on the flow and mass transfer characteristics are graphically presented and discussed. It is observed that the order of the chemical reaction is to increase the thickness of the diffusion boundary layer. Also, the mass transfer rate strongly depends on the Schmidt number and the reaction rate parameter. Furthermore, available results in the literature are obtained as a special case.

Influence of Chemical Reaction and Thermal Radiation on MHD Boundary Layer Flow and Heat Transfer of a Nanofluid over an Exponentially Stretching Sheet

In the present article a numerical analysis has been carried out to study the boundary layer flow behavior and heat transfer characteristics of a nanofluid over an exponential stretching sheet. By assuming the stretching sheet to be impermeable, the effect of chemical reaction, thermal radiation, thermopherosis, Brownian motion and suction parameters in the presence of uniform magnetic field on heat and mass transfer are addressed. The governing system of equations is transformed into coupled nonlinear ordinary differential equations using suitable similarity transformations. The transformed equations are then solved numerically using the well known Runge-Kutta-Fehlberg method of fourth-fifth order. A detailed parametric study is performed to access the influence of the physical parameters on longitudinal velocity, temperature and nanoparticle volume fraction profiles as well as the local skin-friction coefficient, local Nusselt number and the local Sherwood number and the results are presented in both graphical and tabular forms.

NON-EQUILIBRIUM STATIONARY STATE IN CHEMICAL REACTION OF SiO_2/Fe AT INTERFACE OF SLAG/METAL AND ITS STABILITY DURING ARC WELDING

For characteristics of open and far from thermodynamic equilibrium in welding chemical reaction, a new kind of quantitative method, which is used to analyze direction and extent for chemical reaction of SiO2/Fe during quasi-steady state period, is introduced with the concept of non-equilibrium stationary state. The main idea is based on thermodynamic driving forces, which result in non-zero thermodynamic fluxes and lead to chemical reaction far away from thermodynamic equilibrium. There exists certain dynamic equilibrium relationship between rates of diffusion fluxes in liquid phase of reactants or products and the rate equation of chemical reaction when welding is in quasi-steady state. As result of this, a group of non-linear equations containing concentrations of all substances at interface of slag/liquid-metal may be established. Moreover the stability of this non-equilibrium stationary state is discussed using dissipative structure theory and it is concluded theoretically that this non-equilibrium stationary state for welding chemical reaction is of stability.

Selective Area Growth and Characterization of GaN Nanorods Fabricated by Adjusting the Hydrogen Flow Rate and Growth Temperature with Metal Organic Chemical Vapor Deposition

CaN nanorods are successfully fabricated by adjusting the flow rate ratio of hydrogen （H2）/nitrogen （N2） and growth temperature of the selective area growth （SAG） method with metal organic chemical vapor deposition （MOCVD）. The SAG template is obtained by nanospherical-lens photolithography. It is found that increasing the flow rate of 1-12 will change the CaN crystal shape from pyramid to vertical rod, while increasing the growth temperature will reduce the diameters of GaN rods to nanometer scale. Finally the CaN nanorods with smooth lateral surface and relatively good quality are obtained under the condition that the H2：N2 ratio is 1：1 and the growth temperature is 1030℃. The good crystal quality and orientation of GaN nanorods are confirmed by high resolution transmission electron microscopy. The cathodoluminescence spectrum suggests that the crystal and optical quality is also improved with increasing the temperature.

Effects of Chemical Reactions in the Hypersonic Reacting Flow around Blunt Bodies

The effects of chemical reactions in the hypersonic reacting flow are investigated using an integrated algorithm considering simultaneously two different reaction mechanisms,i.e.,including the high temperature air nonequilibrium chemical reactions and the H_2-air combustion reactions. The program is validated by the air non-equilibrium flow at Mach number of 25.9 with the RAM C-II configuration and the shock-induced combustion flow at Mach number of 4.512 6 around a sphere,respectively. Furthermore,the mixed reacting flow with the Mach number of 10.0 with an opposing jet of hydrogen is numerically analyzed. The results show that the program is reliable,and the effects of chemical reactions engender in the decrease of peak temperature along characteristic lines,as well as on the surface. The production of water is augmented in the region with high ratio of oxygen to hydrogen and weakened in the area with low ratio of oxygen to hydrogen by the air chemical non-equilibrium effects.

The Application of Air-flow to the Technological Process of Chemical Fiber

The air-flow’s states and ways acted on the technological process of chemical fiber are summed up, which includes chip drying, spinning quenching as well as airjet texturing (air texturing, tangling texturing and bulked continuous filament (BCF)),and the effect of air-flow on the process and quality of chemical fiber is studied,and the action of mechanics and heat on the bulked continuous filament are calculated.